X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fstochfric.F;h=eac09bf57a5fe2c008575361377d3f0bb69c6b76;hb=5106021063a73b112635d877cd961235bbc15027;hp=e1d3c26fe5ba17a836013440ed8b980f08275bba;hpb=b4662dbad52b91578a5cda22124037728093c6ed;p=unres.git diff --git a/source/unres/src_MD/stochfric.F b/source/unres/src_MD/stochfric.F index e1d3c26..eac09bf 100644 --- a/source/unres/src_MD/stochfric.F +++ b/source/unres/src_MD/stochfric.F @@ -223,7 +223,7 @@ c Compute the stochastic forces acting on virtual-bond vectors. do j=1,3 ff(j)=ff(j)+force(j,i) enddo - if (itype(i+1).ne.21) then + if (itype(i+1).ne.ntyp1) then do j=1,3 stochforc(j,i)=stochforc(j,i)+force(j,i+nres+1) ff(j)=ff(j)+force(j,i+nres+1) @@ -556,7 +556,7 @@ c include 'COMMON.INTERACT' include 'COMMON.IOUNITS' include 'COMMON.NAMES' - double precision radius(maxres2),gamvec(maxres6) + double precision radius(maxres2),gamvec(maxres2) parameter (twosix=1.122462048309372981d0) logical lprn /.false./ c